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Home> Hot Product Listed R   > RP20286
7512-17-6 structure

RP20286

CAS No.:7512-17-6
Molecular Weight:221.2078
Molecular Formula:C6H6N2O3 (isomer)
Names and Identifiers
Synonyms

(r)-1-(3-methylphenyl)ethanol (R)-1-(3-tolyphenyl)ethanol (r)-1-(m-tolyl)ethanol (R)-1-(M-Tolyl)Ethanol(WXC01314) AK340660 AKOS017357733 MCULE-1090825379 NE16285 SCHEMBL343187 ZINC2508058

Inchi
InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
Canonical Smiles
CC(=O)NC1C(C(C(OC1O)CO)O)O
Isomers Smiles
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Properties
Melting Point
201-204℃
Vapour
7.12E-19mmHg at 25°C
Refractive Index
1.541
Alpha
42 º (c=2,water,2 hrs)
HS Code
29329985
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 7512-17-6 EC: RP20286 ·ECHA C&L Inventory for CAS: CAS: 7512-17-6 EC: RP20286
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:221.2078g/mol
  • Molecular Formula:C6H6N2O3
  • XLogP3-AA:_1.7
  • Exact Mass:221.089937
  • Monoisotopic Mass:221.089937
  • Complexity:235
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:119
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:5
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
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  • Tel:86-25-83697070
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  • Tel:86-188-74586545
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